2-Methyl-5-(trifluoromethyl)benzothiazole

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6F3NS
Molecular Weight	217.211
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-5-(trifluoromethyl)benzothiazole

Structure Search

SMILES

CC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

InChI

InChIKey=XXIOZBPOLWETSU-UHFFFAOYSA-N

InChI=1S/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H6F3NS
Molecular Weight	217.211
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:16:26 GMT 2025` Edited by `admin` on `Wed Apr 02 20:16:26 GMT 2025`
Record UNII	K5YSB2MF6Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzothiazole, 2-methyl-5-(trifluoromethyl)-

Preferred Name

English

2-Methyl-5-(trifluoromethyl)benzothiazole

Systematic Name

English

2-Methyl-5-(trifluoromethyl)-1,3-benzothiazole

Systematic Name

English

Code System Code Type Description

FDA UNII

K5YSB2MF6Z

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

ECHA (EC/EINECS)

206-914-8

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID1059943

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

CAS

398-99-2

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

PUBCHEM

67857

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY